N-tert-butyl-4,4-diphenylbutan-2-amine

C20H27N — CID 23480

💊View drug profile → terodiline
IUPACN-tert-butyl-4,4-diphenylbutan-2-amine
SMILESCC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C
InChIInChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3
InChIKeyUISARWKNNNHPGI-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.99
Rot. Bonds5

About N-tert-butyl-4,4-diphenylbutan-2-amine

N-tert-butyl-4,4-diphenylbutan-2-amine (PubChem CID 23480) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-tert-butyl-4,4-diphenylbutan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4-diphenylbutan-2-amine
PubChem CID23480
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-tert-butyl-4,4-diphenylbutan-2-amine
SMILESCC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C
InChIInChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3
InChIKeyUISARWKNNNHPGI-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-diphenylbutan-2-amine?
The IUPAC name of N-tert-butyl-4,4-diphenylbutan-2-amine (CID 23480) is N-tert-butyl-4,4-diphenylbutan-2-amine.
What is the SMILES notation for N-tert-butyl-4,4-diphenylbutan-2-amine?
The canonical SMILES for N-tert-butyl-4,4-diphenylbutan-2-amine is CC(CC(c1ccccc1)c1ccccc1)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,4-diphenylbutan-2-amine?
The InChIKey is UISARWKNNNHPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-16(21-20(2,3)4)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19,21H,15H2,1-4H3.
What are the key properties of N-tert-butyl-4,4-diphenylbutan-2-amine?
N-tert-butyl-4,4-diphenylbutan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-diphenylbutan-2-amine is sourced from PubChem (CID 23480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).